Molecule Details
| InChIKey | HGILVKJBXAXGDH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-({[4-(but-2-yn-1-ylamino)benzene]sulfonyl}methyl)-1-N,1-N-diethyl-4-N-hydroxypiperidine-1,4-dicarboxamide |
| Canonical SMILES | CC#CCNc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)N(CC)CC)CC2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.39 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.7 | pIC50 | TTD_MultiTarget |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.1 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.4 | pIC50 | TTD_MultiTarget |